1-(1-adamantylmethyl)-3-azanyl-7-fluoranyl-5-(4-fluorophenyl)-1,5-benzodiazepine-2,4-dione

Systemtic Name: 1-(1-adamantylmethyl)-3-azanyl-7-fluoranyl-5-(4-fluorophenyl)-1,5-benzodiazepine-2,4-dione Openeye Name: 1-(1-adamantylmethyl)-3-amino-7-fluoro-5-(4-fluorophenyl)-1,5-benzodiazepine-2,4-dione CAS Name: 1-(1-adamantylmethyl)-3-amino-7-fluoro-5-(4-fluorophenyl)-1,5-benzodiazepine-2,4-dione IUPAC Name: 1-(1-adamantylmethyl)-3-amino-7-fluoro-5-(4-fluorophenyl)-1,5-benzodiazepine-2,4-dione Traditional Name: 1-(1-adamantylmethyl)-3-amino-7-fluoro-5-(4-fluorophenyl)-1,5-benzodiazepine-2,4-quinone Formula: C26H27F2N3O2 MolecularWeight: 451.508286

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CN4C5=C(C=C(C=C5)F)N(C(=O)C(C4=O)N)C6=CC=C(C=C6)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CN4C5=C(C=C(C=C5)F)N(C(=O)C(C4=O)N)C6=CC=C(C=C6)F

InChI

InChI=1S/C26H27F2N3O2/c27-18-1-4-20(5-2-18)31-22-10-19(28)3-6-21(22)30(24(32)23(29)25(31)33)14-26-11-15-7-16(12-26)9-17(8-15)13-26/h1-6,10,15-17,23H,7-9,11-14,29H2